1-[4-(methylamino)-3-nitrosophenyl]ethanone

C9H10N2O2 — CID 163775563

IUPAC1-[4-(methylamino)-3-nitrosophenyl]ethanone
SMILESCNc1ccc(C(C)=O)cc1N=O
InChIInChI=1S/C9H10N2O2/c1-6(12)7-3-4-8(10-2)9(5-7)11-13/h3-5,10H,1-2H3
InChIKeyMKCWACQDXXFPSM-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(methylamino)-3-nitrosophenyl]ethanone

1-[4-(methylamino)-3-nitrosophenyl]ethanone (PubChem CID 163775563) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-[4-(methylamino)-3-nitrosophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)-3-nitrosophenyl]ethanone
PubChem CID163775563
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-[4-(methylamino)-3-nitrosophenyl]ethanone
SMILESCNc1ccc(C(C)=O)cc1N=O
InChIInChI=1S/C9H10N2O2/c1-6(12)7-3-4-8(10-2)9(5-7)11-13/h3-5,10H,1-2H3
InChIKeyMKCWACQDXXFPSM-UHFFFAOYSA-N
XLogP2.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-nitrosophenyl)ethanone
CID 45086356
1-[4-fluoro-3-(methylamino)phenyl]ethanone
CID 67800838
1-[4-(methylamino)-3-[(Z)-4-methylpent-1-enyl]phenyl]ethanone
CID 143579770
1-[4-[(4-amino-1-methylpyrrol-2-yl)methylideneamino]-3-(methylamino)phenyl]ethanone;ethane
CID 143537050
bis(4-acetyl-2-nitrosophenyl) 4-methoxybenzene-1,3-dicarboxylate
CID 71516881
1-[3-[2-(methylamino)phenyl]phenyl]ethanone
CID 59454304
1-(4-acetylphenyl)ethanone;methane
CID 159515104
methyl 2-(methylamino)-5-nitrosobenzoate
CID 82254168
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
CID 82468958
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
3,4-dinitroso-N-oxobenzamide
CID 89411284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-3-nitrosophenyl]ethanone?
The IUPAC name of 1-[4-(methylamino)-3-nitrosophenyl]ethanone (CID 163775563) is 1-[4-(methylamino)-3-nitrosophenyl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)-3-nitrosophenyl]ethanone?
The canonical SMILES for 1-[4-(methylamino)-3-nitrosophenyl]ethanone is CNc1ccc(C(C)=O)cc1N=O.
What is the InChIKey of 1-[4-(methylamino)-3-nitrosophenyl]ethanone?
The InChIKey is MKCWACQDXXFPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)7-3-4-8(10-2)9(5-7)11-13/h3-5,10H,1-2H3.
What are the key properties of 1-[4-(methylamino)-3-nitrosophenyl]ethanone?
1-[4-(methylamino)-3-nitrosophenyl]ethanone has a molecular weight of 178.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-3-nitrosophenyl]ethanone is sourced from PubChem (CID 163775563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).